[QE-users] Query about high symmetry path.

[Lorenzo Paulatto]

Coordinate in the cif file are likely in "crystal" units. Hard to tell more without more information

kind regards
--
Lorenzo Paulatto - Paris
On May 19 2021, at 3:44 pm, Poonam Kaushik <poonamkaushik40 at gmail.com> wrote:
> Dear all,
> I have one query about the high symmetry path for plotting the band structure. From the CIF file, I can calculate the high symmetry path of any material, but in previous research papers if saw the high symmetry path it is different from my one. So for the matching purpose that my band structure is also correct, how can I obtained the same path as mentioned in the literature.
> Also, I observed on ' Material Cloud' the band structure of the same material as I want, I downloaded the CIF file from there but the high symmetry path is coming different as they mention (on the Material Cloud).
> I'll be very thankful if someone suggests me something about this.
>
> Thanks and regards,
> Poonam Sharma
>
>
>
>
> -------------------------------------------------------------------------------------------------
> Poonam Sharma
> Research Scholar
> Department of Physics
> Indian Institute of Technology Bombay
> Mumbai - 400076
>
> India.
>
>
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